URP

N-(AMINOCARBONYL)-BETA-ALANINE

Created:	2006-02-06
Last modified:	2020-05-26

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6 entries where URP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of URP

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Chemical Component Summary
Name	N-(AMINOCARBONYL)-BETA-ALANINE
Synonyms	N-CARBAMYL-BETA-ALANINE; BETA-UREIDOPROPIONATE
Systematic Name (OpenEye OEToolkits)	3-(aminocarbonylamino)propanoic acid
Formula	C₄ H₈ N₂ O₃
Molecular Weight	132.118
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCNC(=O)N
SMILES	CACTVS	3.341	NC(=O)NCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CNC(=O)N)C(=O)O
Canonical SMILES	CACTVS	3.341	NC(=O)NCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CNC(=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKey	InChI	1.03	JSJWCHRYRHKBBW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	111
ChEMBL	CHEMBL20962
ChEBI	CHEBI:18261

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